UCSF

ZINC32825173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 5.52 -59.27 0 7 -1 77 364.429 2
Lo Low (pH 4.5-6) 1.59 6.32 -21.07 1 7 0 74 365.437 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )